CID 16776024

3-[(4-methylphenyl)methoxy]aniline

Structural Information

Molecular Formula
C14H15NO
SMILES
CC1=CC=C(C=C1)COC2=CC=CC(=C2)N
InChI
InChI=1S/C14H15NO/c1-11-5-7-12(8-6-11)10-16-14-4-2-3-13(15)9-14/h2-9H,10,15H2,1H3
InChIKey
DCFWNBWAFKVXFO-UHFFFAOYSA-N
Compound name
3-[(4-methylphenyl)methoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

213.11537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 148.1
[M+Na]+ 236.10459 162.9
[M+NH4]+ 231.14919 157.7
[M+K]+ 252.07853 154.6
[M-H]- 212.10809 154.0
[M+Na-2H]- 234.09004 158.3
[M]+ 213.11482 152.0
[M]- 213.11592 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe